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Chenglin Luo Professor

Research Interests: 
  • Electronic Structure of Condensed Physics
  • Materials Modelling and Simulation

Educational Background

  • PhD, Nuclear Physics, Nanjing University (1990)
  • MA,  Nuclear Physics, Nanjing University (1987)
  • BA,  Nuclear Physics, Nanjing University (1984)

Research Projects

  1. Design and Theories of Gigahertz Carbon Nanotube Oscillation,Natural Science Foundation of Jiangsu Province.  BK2008427
  2. Magnetic Theory of Single-Molecule Magnets, Natural Science Foundation of China,  Grant No. 10704041

Journal Articles

  1. Water permeability in carbon nanotube arrays, Acta Phys. Sin., 64(23), (2015) 230201
  2. Flux controllable pumping of water molecules in a double-walled carbon nanotube, Acta Phys. Sin. Vol. 64(11), (2015) 116101
  3. Torsional mechanical properties of (n, n)-(2n, 0) carbon nanotubes heterojunction, Acta Phys. Sin. Vol., 64(10) (2015) 106102
  4. Origin of the relaxation barriers in a family of MReIV(CN)2 single-chain magnets (M = MnII, NiII, and CoII): a theoretical investigation, New J. Chem., 2015, 39, 445—452
  5. Magneto-Structural Correlations in a Family of FeIIReIV(CN)2 Single Chain Magnets: Density Functional Theory and Ab Initio Calculations, Inorg. Chem. 2014, 53, 3503−351
  6. Comment on “Electrical-Driven Transport of Endohedral Fullerene Encapsulating a Single Water Molecule”, Phys.Rev.Lett. 113, 119601 (2014)
  7. Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi, Journal of Physics and Chemistry of Solids 75 (2014) 391–396392
  8. Exchange Coupling and Magnetic Anisotropy in a Family of Bipyrimidyl Radical-Bridged Dilanthanide Complexes: Density Functional Theory and Ab Initio Calculations, Journal of Computational Chemistry 2014, 35, 904–909
  9. Giant and flux controllable pumping of water molecules in a double-walled carbon nanotube,
  10. Understanding the Magnetic Anisotropy in a Family of N23− Radical Bridged Lanthanide Complexes: Density Functional Theory and ab Initio Calculations, J. Phys. Chem. A 2013, 117, 10873−10880
  11. Structures, Magnetic Properties, and Electronic Counting Rule of Metals-Encapsulated Cage-Like M2Si18(M=Ti-Zn) Clusters, International Journal of Quantum Chemistry 2012,112, 2525–2531
  12. Exploring the Sources of the Magnetic Anisotropy in a Family of Cyanide-Bridged Ni9Mo6 and Ni9W6 Systems: A Density Functional Theory Study, J. Phys. Chem. A 2011, 115, 7778–7784
  13. Torsion-induced mechanical couplings of single-walled carbon nanotubes, Appl. Phys. Lett. 99, 231904 (2011)
  14. Exciton in twisted single-walled carbon nanotube, Phys. Status Solidi C 8(4), (2011)1190
  15. An ion-charged carbon nanotube oscillator beyond the terahertz regime, Phys. Scr. 84 (2011) 035802
  16. Strong anisotropy barriers of two theoretically modeled cyano-bridged magnets [(PY5Me2)4M4Re(CN)7]5+ (M=VII, NiII):DFT Predictions,Polyhedron 30 (2011) 3228–3231
  17. Density-functional investigation of hexagonal prism transition-metal-encapsulated cage M2Si18 ( M=Sc–Zn) clusters, Modelling Simul. Mater. Sci. Eng. 18 (2010) 025011
  18. On the Origin of Magnetic Anisotropy in Cyanide-Bridged Co9M6 (M = MoV or WV) Systems: A DFT Study, Inorg. Chem. 2009, 48, 10486–10488
  19. Theoretical study of magnetostructural correlations in a family of triangular manganese(III) complexes, Dalton Trans., 2009, 5627–5636
  20. Density Functional Theory Studies of the Magnetostructural Correlations in the Cyano-Bridged Mo2Ni and Mo2Ni3 Systems, Eur. J. Inorg. Chem. 2008, 2199–2206
  21. Theoretical study of the exchange coupling substituting MoV with WV in four cyano-bridged M9M6 (M=MnII or NiII;M=MoV or WV) systems, Dalton Trans., 2008, 4575–4584
  22. Simulations of nucleation of single-walled carbon nanotubes, phys. stat. sol.(a), 204(2), 555–562 (2007)
  23. Theoretical Study of the Relationship between the Nearest-Neighbor Exchange Coupling Interactions and the Number of Peripheral Complexes in the Cyano-Bridged CrMn6(CN)6 and CrMn2(CN)2 Clusters, J. Phys. Chem. A 2006, 110, 5096-5101
  24. Magnetostructural correlations in the cyano-bridged CrNi, Cr2Ni and CrNi6 complexes: density functional theory calculations, J. Mater. Chem., 2006, 16, 4657
  25. Theoretical Study of the Magnetic Exchange Coupling Behavior Substituting Cr(III) With Mo(III) in Cyano-Bridged Transition Metal Complexes, Inter. J. Quan. Chem., 106, (2006)1551
  26. Relationship Between the Nearest-Neighbor Exchange Coupling Constants and the Number of Exchange Interactions in the Cyano-Bridged MnMo6(CN)18 Cluster: Density Functional Theory Calculations, Eur. J. Inorg. Chem. 2006, 2292–22982292
  27. Collision of a single-walled carbon nanotube with graphitic patches, Modelling Simul. Mater. Sci. Eng. 13 (2005) 1403–1409
  28. A possible packing sequence of nickel clusters: Ni13–Ni32, New Journal of Physics 4 (2002) 10.1–10.8
  29. Tight binding method simulation of the formation of nanotube, Physics Letters A 289 (2001) 121–126
  30. The structure of small nickel clusters: Ni2–Ni19, Modelling Simul. Mater. Sci. Eng. 8 (2000) 95–101


  • Department of Physics, Nanjing Normal University
  • Phone:+86-25-85891963-8428
  • email: